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Mostrati risultati da 1 a 20 di 40
Titolo Autore(i) Anno Periodico Editore Tipo File
Computed electronic and vibrational spectra of the most stable isomers of C48N12 azafullerene E. Emanuele; F. Negri; G. Orlandi 2004-01-01 CHEMICAL PHYSICS - 1.01 Articolo in rivista -
On the Mechanism of the cis-trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1 A. CEMBRAN; F. BERNARDI; M. GARAVELLI; L. GAGLIARDI; ORLANDI G. 2004-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
A Theoretical Study of the Lowest Electronic States of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization L. Gagliardi; G. Orlandi; F. Bernardi; A. Cembran; M. Garavelli 2004-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
Electronic interactions and thermal disorder in mlecular crystals containing cofacial pentacene units. A. Troisi; G.Orlandi; J.E. Anthony 2005-01-01 CHEMISTRY OF MATERIALS - 1.01 Articolo in rivista -
Solvent effect on the vibrational activity and photodynamics of the Green Fluorescent Protein Chromophore: a Quantum-Chemical Study. P. ALTOE; F. BERNARDI; M. GARAVELLI; ORLANDI G.; F. NEGRI 2005-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
VIBRATIONAL ACTIVITY AND PHOTOISOMERIZATION PATHS OF THE GREEN FLUORESCENT PROTEIN CHROMOPHORE: VACUO AND SOLVENT EFFECTS BY QM-COMPUTATIONS P. Altoè; G. Orlandi; F. Negri; M. Garavelli 2005-01-01 - sine nomine 4.02 Riassunto (Abstract) -
Electronic and Vibronic Spectra of Molecular Systems: Models and Simulations based on Quantum Chemically Computed Molecular Parameters F. Negri; G. Orlandi 2005-01-01 - Elsevier 2.01 Capitolo / saggio in libro -
The large amplitude out-of-plane vibrations of 1,3-Benzodioxole in the S0 and S1 states: an analysis of fluorescence and excitation spectra by ab-initio calculations. E. Emanuele; G. Orlandi 2005-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista -
Band structure of the four pentacene polymorphs and effect on the hole mobilità at low temperature. TROISI A.; ORLANDI G. 2005-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
Effect of Strain on the Photoisomerization and Stability of a Congested Azobenzenophane: a Combined Experimental and Computational Study Elisa Bassotti; Paola Carbone; Alberto Credi; Marco Di Stefano; Stefano Masiero; Fabrizia Negri; ...Giorgio Orlandi; Gian Piero Spada 2006-01-01 - s.n 4.02 Riassunto (Abstract) -
Effect of Strain on the Photoisomerization and Stability of a Congested Azobenzenophane: a Combined Experimental and Computational Study E. Bassotti; P. Carbone; A. Credi; M. Di Stefano; S. Masiero; F. Negri; G. Orlandi; G. P. Spada 2006-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista -
Structure, stability and spectroscopic properties of C48(BN)6 heterofullerenes Emanuela Emanuele; Fabrizia Negri; Giorgio Orlandi 2006-01-01 - s.n 4.02 Riassunto (Abstract) -
Substituent controlled spectroscopy and excited state topography of retinal chromophore models: fluorinated and methoxy-substituted protonated Schiff bases I. CONTI; F. BERNARDI; G. ORLANDI; M. GARAVELLI 2006-01-01 MOLECULAR PHYSICS - 1.01 Articolo in rivista -
Reminiscence of benzene in the spectroscopy of 1,3 benzodioxole: a computational study E. Emanuele; F. Negri; G. Orlandi 2006-01-01 CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Charge transport regime of crystallyne organic semiconductors: diffusion limited by thermal off-diagonal electronic disorder. A. Troisi; G. Orlandi 2006-01-01 PHYSICAL REVIEW LETTERS - 1.01 Articolo in rivista -
Dynamics of the intermolecular transfer integral in crystallyne organic semiconductors. A. Troisi; G.Orlandi 2006-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista -
Ab initio study of Z-E isomerization pathways of N-benzylideneaniline. A. V. Gaenko; A. Devarajan; L. Gagliardi; R. Lindth; G. Orlandi 2007-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
Structure, stability and spectroscopic properties of isomers of C48B6N6 heterofullerene with isolated and sequential BN substitutional patterns E. Emanuele; F. Negri; G. Orlandi 2007-01-01 INORGANICA CHIMICA ACTA - 1.01 Articolo in rivista -
Ab initio Investigation to Model Stilbene Photo-Physical Properties by Combining CC2 Topological Investigation and CASPT2 Energy Corrections Tomasello, Gaia; Altoè, P.; Garavelli, Marco; Orlandi, Giorgio 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
Light driven molecular switches: exploring and tuning their photophysical and photochemical properties P. Altoè; F. Bernardi; I. Conti; M. Garavelli; F. Negri; G. Orlandi 2007-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
Mostrati risultati da 1 a 20 di 40
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